2026-04-28T11:57:10Zhttps://riubu.ubu.es/oai/requestoai:riubu.ubu.es:10259/61792024-06-13T08:06:28Zcom_10259_4323com_10259_5086com_10259_2604col_10259_4330
A combined experimental and theoretical study on diglyme + 1-alkanol liquid mixtures
Trenzado, José Luis
Rozas Azcona, Sara
Caro, M.N.
Atilhan, Mert
Aparicio Martínez, Santiago
Liquid mixtures
Glymes
Alcohols
Hydrogen bonding
Thermophysics
Molecular simulation
Química física
Chemistry, Physical and theoretical
The properties, structuring and intermolecular forces of diglyme + alkanol mixtures are studied using a
combined experimental and theoretical approach. The thermophysical properties as well as the molecular
simulation results provide detailed characterization of the mixtures in terms of composition, type of
1-alkanol and temperature. The possibility of development of heteroassociations by glyme - alkanol
hydrogen bonding as well as their effect on the weakening and breaking on alkanols self-association
show a pivotal role on the mixtures structure as well as the glyme self-association. The reported mixtures
show complex structural effects varying with mixtures composition which may be considered as model
of ether – hydroxyl interaction and their effects on the mixture’s properties and nature.
Ministerio de Ciencia, Innovación y Universidades (Spain, project RTI2018-101987-B-I00). We acknowledge SCAYLE (Supercomputación Castilla y León, Spain) for providing supercomputing facilities.
2021-11-18T13:27:01Z
2021-11-18T13:27:01Z
2021-07
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
0167-7322
http://hdl.handle.net/10259/6179
10.1016/j.molliq.2021.116048
eng
Journal of Molecular Liquids. 2021, V. 334, 116048
https://doi.org/10.1016/j.molliq.2021.116048
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RTI2018-101987-B-I00/ES/NANOCOMPOSITES POROSOS DE LIQUIDOS IONICOS PARA EL ALMACENAMIENTO DE METANO
Attribution-NonCommercial-NoDerivatives 4.0 Internacional
http://creativecommons.org/licenses/by-nc-nd/4.0/
info:eu-repo/semantics/openAccess
application/pdf
Elsevier